1. Primary Information
| English name: | 2,2'-(4,4'-(4,4'-methylenebis(2-chloro-4,1-phenylene))bis(azanediyl)bis(oxomethylene)bis(azanediyl)bis(4,1-phenylene))bis(oxy)bis(2-Methylpropanoic acid) |
| CAS No.: | 245075-84-7 |
| Molecular formula: | C35H34Cl2N4O8 |
| Molecular weight: | 709.6 g/mol |
| SMILES: | CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC(C)(C)C(=O)O)Cl)Cl |
| Structural class: | |
| Other identifiers: |
LR-90 methylene bis(4,4'-(2-chlorophenylureido)phenoxyisobutyric acid) |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 832 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1280 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2560 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 7680 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[4-[[4-[[4-[[4-(2-carboxypropan-2-yloxy)phenyl]carbamoylamino]-3-chlorophenyl]methyl]-2-chlorophenyl]carbamoylamino]phenoxy]-2-methylpropanoic acid
4.2 InChI
InChI=1S/C35H34Cl2N4O8/c1-34(2,30(42)43)48-24-11-7-22(8-12-24)38-32(46)40-28-15-5-20(18-26(28)36)17-21-6-16-29(27(37)19-21)41-33(47)39-23-9-13-25(14-10-23)49-35(3,4)31(44)45/h5-16,18-19H,17H2,1-4H3,(H,42,43)(H,44,45)(H2,38,40,46)(H2,39,41,47)
4.3 InChIKey
WJDMCXSGUCNRPZ-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC(C)(C)C(=O)O)Cl)Cl
4.5 Isomeric SMILES
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